| SpectraBase Compound ID | 8SA2dV4rvlL |
|---|---|
| InChI | InChI=1S/C5H8BrFO2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3 |
| InChIKey | YEPMIIDZZPEMFF-UHFFFAOYSA-N |
| Mol Weight | 199.02 g/mol |
| Molecular Formula | C5H8BrFO2 |
| Exact Mass | 197.969171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DuVOJUXIVaY |
|---|---|
| Name | 3-Bromo-2-fluoro-2-methyl-propionic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.969170659 u |
| Formula | C5H8BrFO2 |
| InChI | InChI=1S/C5H8BrFO2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3 |
| InChIKey | YEPMIIDZZPEMFF-UHFFFAOYSA-N |
| Molecular Weight | 199.019 g/mol |
| SMILES | C(=O)(C(CBr)(C)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953244 |